1,3-benzothiazol-2-ylmethyl 3-bromanyl-1H-indole-2-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-bromanyl-1H-indole-2-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-bromo-1H-indole-2-carboxylate CAS Name: 3-bromo-1H-indole-2-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-bromo-1H-indole-2-carboxylate Traditional Name: 3-bromo-1H-indole-2-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C17H11BrN2O2S MolecularWeight: 387.25044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N2)C(=O)OCC3=NC4=CC=CC=C4S3)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N2)C(=O)OCC3=NC4=CC=CC=C4S3)Br

InChI

InChI=1S/C17H11BrN2O2S/c18-15-10-5-1-2-6-11(10)20-16(15)17(21)22-9-14-19-12-7-3-4-8-13(12)23-14/h1-8,20H,9H2